SCHEMBL109302

SCHEMBL109302

CSC(N)c1ccccc1

nearest known ligand 0.52

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
DPP4 P27487 2/20 0.50
F2 P00734 1/20 0.50
ADRA2A P08913 1/20 0.44
ADRA2C P18825 1/20 0.44
LMNA P02545 1/20 0.44
HIF1A Q16665 1/20 0.44
KDM4E B2RXH2 1/20 0.44
ALDH1A1 P00352 1/20 0.43
TAAR1 Q96RJ0 3/20 0.41
HTR2A P28223 1/20 0.40

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
Hydrochloric Acid SCHEMBL10435080 0.97 DPP4 (0.48) DPP4F2ADRA2AADRA2CLMNA
Hydrochlorthiazide SCHEMBL28652725 0.78 DPP4 (0.32) DPP4F2ADRA2AADRA2CLMNA
SCHEMBL7046602 0.78 DPP4 (0.55) DPP4F2ADRA2AADRA2CLMNA
SCHEMBL2579463 0.75
SCHEMBL9770286 0.75 ESR1 (0.48) LMNAHIF1AKDM4EALDH1A1TAAR1
SCHEMBL3956655 0.75 TSHR (0.46) DPP4F2ADRA2AADRA2CLMNA
SCHEMBL24385256 0.74 DPP4 (0.50) DPP4F2ADRA2AADRA2CLMNA
SCHEMBL28389887 0.74 DPP4 (0.50) DPP4F2ADRA2AADRA2CLMNA
SCHEMBL12127469 0.73 PNMT (0.44) ALDH1A1
SCHEMBL9522260 0.73 ADRB1 (0.56) ADRA2AADRA2CLMNAHIF1AKDM4E

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2424874-A1 NOVEL PHOSPHATE MODIFIED NUCLEOSIDES USEFUL AS SUBSTRATES FOR POLYMERASES AND AS ANTIVIRAL ANGENTS Katholieke Universiteit Leuven, K.U. Leuven R&D (BE) 2012-03-07 EP disclosed
WO-2010125200-A1 NOVEL PHOSPHATE MODIFIED NUCLEOSIDES USEFUL AS SUBSTRATES FOR POLYMERASES AND AS ANTIVIRAL ANGENTS KATHOLIEKE UNIVERSITEIT LEUVEN, K.U. LEUVEN R&D (BE) 2010-11-04 WO disclosed
WO-2008009076-A2 SUBSTITUTED PYRIDO(3,2-D)PYRIMIDINES AND PHARMACEUTICAL COMPOSITIONS FOR TREATING VIRAL INFECTIONS GILEAD SCIENCES, INC. (US) 2008-01-24 WO disclosed